SCHEMBL542149

SCHEMBL542149

c1nc2c(o1)CCCCN2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.32
CRBN Q96SW2 1/20 0.32
UHRF1 Q96T88 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15313445 0.94
SCHEMBL3665840 0.68 FKBP5 (0.32) FKBP5CRBN
SCHEMBL1155690 0.67
SCHEMBL2042183 0.66
SCHEMBL12111262 0.64 FKBP5 (0.36) FKBP5CRBNUHRF1
SCHEMBL503315 0.63 CHRM5 (0.37)
SCHEMBL25251015 0.61 FKBP5 (0.33) FKBP5CRBNUHRF1
SCHEMBL2051773 0.61
SCHEMBL2050084 0.61
SCHEMBL14181105 0.61 FKBP5 (0.33) FKBP5CRBN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed